SCHEMBL4198670

SCHEMBL4198670

CCN(CC)Cc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.76
SLC6A4 P31645 19/20 0.76
SLC6A2 P23975 9/20 0.76
SLC6A3 Q01959 9/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4199087 0.96 HRH3 (0.71) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3943363 0.86 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4259373 0.83 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3947211 0.83 SLC6A4 (0.93) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4017434 0.83 SLC6A4 (0.93) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3946469 0.76 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3942964 0.75 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3945650 0.75 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4263159 0.75 HRH3 (0.75) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3945002 0.74 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed